CID 3079067

Brn 4516625

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CC1=CC=C(N1NC(=O)C(C)(C)OC2=CC(=C(C=C2)Cl)C)C
InChI
InChI=1S/C17H21ClN2O2/c1-11-10-14(8-9-15(11)18)22-17(4,5)16(21)19-20-12(2)6-7-13(20)3/h6-10H,1-5H3,(H,19,21)
InChIKey
ZGUPHRLVJPGVAV-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12915 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 176.3
[M+Na]+ 343.11837 185.4
[M-H]- 319.12187 182.6
[M+NH4]+ 338.16297 192.5
[M+K]+ 359.09231 180.6
[M+H-H2O]+ 303.12641 169.6
[M+HCOO]- 365.12735 193.6
[M+CH3COO]- 379.14300 210.6
[M+Na-2H]- 341.10382 177.1
[M]+ 320.12860 181.7
[M]- 320.12970 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.